1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C11H13N3O — CID 167750680

IUPAC1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)C13CC1C3)C2
InChIInChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3
InChIKeyIPDUNDZOVZNUOS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.67
Rot. Bonds1

About 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 167750680) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID167750680
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)C13CC1C3)C2
InChIInChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3
InChIKeyIPDUNDZOVZNUOS-UHFFFAOYSA-N
XLogP0.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 167750680) is 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is Cn1ncc2c1CN(C(=O)C13CC1C3)C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is IPDUNDZOVZNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 203.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 167750680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).